2-Methyloctahydro-1,4-benzodioxin-2-ol
Basic information
- CAS
54316-05-1- Standard SMILES
CC1(O)COC2CCCCC2O1- InChIKey
BREMRAWYWKIBAK-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 2-Methyloctahydro-1,4-benzodioxin-2-ol
- IUPAC
- 3-methyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-ol
Names & synonyms
54316-05-12-Methyloctahydro-1,4-benzodioxin-2-olDTXSID90514308
Database identifiers
- CAS
54316-05-1- PubChem CID
- 12980474
- DTXSID
DTXSID90514308
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…